SCHEMBL8073029

SCHEMBL8073029

C#CC(C)(C)NC(=O)c1cc(Cl)c(OCCCCCC(=O)O)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.47
▸ PLAU P00749 3/20 0.40
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ANO1 Q5XXA6 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ PDE4B Q07343 4/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6577513 0.74 PYGL (0.68) PYGLPLAUPOLBSMN1; SMN2MEN1
SCHEMBL11884426 0.73 NPC1 (0.45) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL6575170 0.70 PYGL (0.51) PYGLPLAURAB9AKDM4EALDH1A1
SCHEMBL6579131 0.70 PYGL (0.64) PYGLPLAUMEN1KMT2AL3MBTL1
SCHEMBL9780857 0.70 KMT2A (0.61) PYGLKMT2AL3MBTL1ALDH1A1
Pronamide SCHEMBL55124 0.70 RAB9A (0.47) MEN1NPC1RAB9AKMT2AHTT
SCHEMBL9780778 0.68 KMT2A (0.62) PYGLMEN1KMT2AL3MBTL1
SCHEMBL18177848 0.67 LMNA (0.53) POLBSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL8414924 0.66 NPC1 (0.48) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL8997268 0.65 MCL1 (0.47) PYGLPLAUSMN1; SMN2KMT2AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000247939-A HAPTEN COMPOUND OF PROPYZAMIDE, ANTIBODY AND DETERMINATION METHOD KANKYO MENEKI GIJUTSU KENKYUSHO:KK 2000-09-12 — — JP disclosed
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